- InChI
- InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3
- InChI Key
- GOJCZVPJCKEBQV-UHFFFAOYSA-N
- Formula
- C18H24O6
- SMILES
-
CCCCOC(=O)COC(=O)c1ccccc1C(=O)
OCCCC - Molecular Weight1
- 336.38
- CAS
- 85-70-1
- Other Names
-
- Butyl carbobutoxymethyl phthalate
- Butyl glycolyl butyl phthalate
- Butyl phthalate butyl glycolate
- Butyl phthalyl butyl glycolate
- Dibutyl o-carboxybenzoyloxyacetate
- Santicizer B 16
- 1,2-Benzenedicarboxylic acid, 2-butoxy-2-oxoethyl, butyl ester
- Dibutyl O-(o-carboxybenzoyl) glycolate
- Glycolic acid, butyl ester, butyl phthalate
- Glycolic acid, phthalate, dibutyl ester
- Phthalic acid, butoxycarbonylmethyl butyl ester
- Phthalic acid, butyl ester, butyl glycolate
- Butoxycarbonylmethyl butyl phthalate
- Reomol 4PG
- Morflex 190
- n-Butyl phthalyl-n-butyl glycolate
- 1,2-Benzenedicarboxylic acid, 1-(2-butoxy-2-oxoethyl) 2-butyl ester
- 2-Butoxy-2-oxoethyl butyl phthalate
- 1-(2-Butoxy-2-oxoethyl) 2-butyl phthalate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9907 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1072.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.144 | Crippen Calculated Property | |
| McVol | 263.040 | ml/mol | McGowan Calculated Property |
| Pc | 1462.37 | kPa | Joback Calculated Property |
| Tboil | 632.06 | K | Relay (1.0) Calculated Property |
| Tc | 835.21 | K | Relay (1.0) Calculated Property |
| Tfus | 257.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.989 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.64; 850.73] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.31470e+01 | |||
| Coefficient B | 1.41104e+00 | |||
| Coefficient C | -6.35760e-04 | |||
| Coefficient D | 3.23000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 381.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 464.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 538.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 605.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 665.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 716.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 761.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 798.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 828.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 850.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007371; 0.0000633] | Pa×s | [458.55; 712.62] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.40967e+01 | |||
| Coefficient B | 3.15664e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 458.55 | |||
| Temperature range, max. | 712.62 | |||
| η | 0.0007371 | Pa×s | 458.55 | Calculated Property |
| η | 0.0004945 | Pa×s | 486.78 | Calculated Property |
| η | 0.0003466 | Pa×s | 515.01 | Calculated Property |
| η | 0.0002520 | Pa×s | 543.24 | Calculated Property |
| η | 0.0001891 | Pa×s | 571.47 | Calculated Property |
| η | 0.0001458 | Pa×s | 599.70 | Calculated Property |
| η | 0.0001151 | Pa×s | 627.93 | Calculated Property |
| η | 0.0000927 | Pa×s | 656.16 | Calculated Property |
| η | 0.0000760 | Pa×s | 684.39 | Calculated Property |
| η | 0.0000633 | Pa×s | 712.62 | Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, butyl ester, ester with butyl glycolate.
Sources
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